Information card for entry 7713442

Structure parameters

• Formula: C15 H18 Br Mn N2 O3
• Calculated formula: C15 H18 Br Mn N2 O3
• SMILES: Br[Mn]1([n]2cccc3CCCC([NH]1C(C)C)c23)(C#[O])(C#[O])C#[O]
• Title of publication: Robust and efficient transfer hydrogenation of carbonyl compounds catalyzed by NN-Mn(I) complexes
• Authors of publication: Wang, Zheng; Ma, Ning; Lu, Xiaochi; Liu, Ming; Liu, Tian; Liu, Qingbin; Solan, Gregory; Sun, Wen Hua
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 21.7602 ± 0.0003 Å
• b: 12.71564 ± 0.00011 Å
• c: 16.6797 ± 0.0002 Å
• α: 90°
• β: 111.059 ± 0.0014°
• γ: 90°
• Cell volume: 4306.95 ± 0.1 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No